4-tert-butyl-2-(5-tert-butyl-2-oxidanidyl-phenyl)sulfanyl-phenolate; nickel(2+); octan-3-amine

Systemtic Name: 4-tert-butyl-2-(5-tert-butyl-2-oxidanidyl-phenyl)sulfanyl-phenolate; nickel(2+); octan-3-amine Openeye Name: nickelous; 4-tert-butyl-2-(5-tert-butyl-2-oxido-phenyl)sulfanyl-phenolate; octan-3-amine CAS Name: 4-tert-butyl-2-[(5-tert-butyl-2-oxidophenyl)thio]phenolate; nickel(2+); 3-octanamine IUPAC Name: 4-tert-butyl-2-(5-tert-butyl-2-oxidophenyl)sulfanylphenolate; nickel(2+); octan-3-amine Traditional Name: nickelous; 4-tert-butyl-2-[(5-tert-butyl-2-oxido-phenyl)thio]phenolate; 1-ethylhexylamine Formula: C28H43NNiO2S MolecularWeight: 516.40492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N.CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)C)[O-].[Ni+2]

Isomeric SMILES

CCCCCC(CC)N.CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)C)[O-].[Ni+2]

InChI

InChI=1S/C20H26O2S.C8H19N.Ni/c1-19(2,3)13-7-9-15(21)17(11-13)23-18-12-14(20(4,5)6)8-10-16(18)22;1-3-5-6-7-8(9)4-2;/h7-12,21-22H,1-6H3;8H,3-7,9H2,1-2H3;/q;;+2/p-2